SCHEMBL5584957

SCHEMBL5584957

COc1cc(CN(CCc2ccccn2)C(=O)CCCCc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 9/20 1.00
MAP2K1 Q02750 9/20 1.00
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 3/20 0.59
APP P05067 1/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TDP1 Q9NUW8 1/20 0.50
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
BLM P54132 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6324928 0.90 RAF1 (0.82) RAF1MAP2K1KDM4EALDH1A1APP
SCHEMBL6327100 0.90 RAF1 (0.82) RAF1MAP2K1KDM4EALDH1A1APP
SCHEMBL6324574 0.89 RAF1 (0.80) RAF1MAP2K1KDM4EALDH1A1TDP1
SCHEMBL6327310 0.89 RAF1 (0.80) RAF1MAP2K1KDM4EALDH1A1APP
SCHEMBL6326868 0.88 RAF1 (0.79) RAF1MAP2K1KDM4EALDH1A1APP
SCHEMBL6324891 0.87 RAF1 (0.80) RAF1MAP2K1KDM4EALDH1A1APP
SCHEMBL6327025 0.87 RAF1 (0.76) RAF1MAP2K1KDM4EALDH1A1APP
SCHEMBL6322178 0.87 RAF1 (0.76) RAF1MAP2K1KDM4EALDH1A1APP
SCHEMBL6616512 0.85 RAF1 (0.74) RAF1MAP2K1KDM4EALDH1A1APP
SCHEMBL6324552 0.85 RAF1 (0.73) RAF1MAP2K1KDM4EALDH1A1APP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4615869-A1 COMBINATION THERAPY COMPRISING BISPECIFIC ANTIBODIES COMPRISING AN NRP1 BINDING DOMAIN Pinetree Therapeutics, Inc. (US) 2025-09-17 EP claimed
WO-2025027223-A1 DYRK2 INHIBITORS FOR TREATING TUMOURS WITH THE HYPERACTIVE MAPK/ERK PATHWAY Universidad de Córdoba (ES) 2025-02-06 WO claimed
US-20240390373-A1 RAF KINASE INHIBITORS FOR TREATING TUMORS HARBORING GENE FUSIONS DAY ONE BIOPHARMACEUTICALS, INC. 2024-11-28 US claimed
WO-2024102187-A1 COMBINATION THERAPY COMPRISING BISPECIFIC ANTIBODIES COMPRISING AN NRP1 BINDING DOMAIN PINETREE THERAPEUTICS, INC. (US) 2024-05-16 WO claimed
WO-2024011307-A1 PYRAZOLO[3,4-D]PYRIMIDIN-6-YL-SULFONAMIDE DERIVATIVES FOR THE INHIBITION OF SGK-1 AND TREATMENT OF CANCER THRYV THERAPEUTICS INC. (CA) 2024-01-18 WO claimed
WO-2026044398-A1 SALTS OF 5-CHLORO-2-FLUORO-N-(2-FLUORO-4-(3-METHYL-4-[(1-METHYLPIPERIDIN-4-YL)OXY]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL)PHENYL)BENZENE SULFONAMIDE AND CRYSTALLINE FORMS THEREOF THRYV THERAPEUTICS INC. (CA) 2026-03-05 WO disclosed
EP-4659812-A1 DETECTION METHODS AND COMBINATION THERAPIES OF CELLS WITH EXTRACELLULAR RAS EXPRESSION Bumm, Thomas (DE) 2025-12-10 EP disclosed
EP-4615869-A1 COMBINATION THERAPY COMPRISING BISPECIFIC ANTIBODIES COMPRISING AN NRP1 BINDING DOMAIN Pinetree Therapeutics, Inc. (US) 2025-09-17 EP disclosed
US-20250281607-A1 MEDICAMENT FOR TREATMENT AND/OR PREVENTION OF CANCER TORAY INDUSTRIES, INC. (JP) 2025-09-11 US disclosed
WO-2025027223-A1 DYRK2 INHIBITORS FOR TREATING TUMOURS WITH THE HYPERACTIVE MAPK/ERK PATHWAY Universidad de Córdoba (ES) 2025-02-06 WO disclosed
US-20240390373-A1 RAF KINASE INHIBITORS FOR TREATING TUMORS HARBORING GENE FUSIONS DAY ONE BIOPHARMACEUTICALS, INC. 2024-11-28 US disclosed
CN-111799148-B Ion detector 浜松光子学株式会社 2024-10-29 CN disclosed
US-11242344-B2 (4-hydroxypyrrolidin-2-yl)-heterocyclic compounds and methods of use thereof GENENTECH, INC. (US) 2022-02-08 US disclosed
US-20210309660-A1 (4-HYDROXYPYRROLIDIN-2-YL)-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2021-10-07 US disclosed
WO-2019183523-A1 HETERO-BIFUNCTIONAL DEGRADER COMPOUNDS AND THEIR USE AS MODULATORS OF TARGETED UBIQUINATION (VHL) GENENTECH, INC. (US) 2019-09-26 WO disclosed
EP-1845985-A2 AMINE DERIVATIVE CONTAINING COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS RELATED TO THE ETIOLOGY OF CANCER NexusPharma Inc. (US) 2007-10-24 EP disclosed
WO-2006084116-A2 AMINE DERIVATIVE CONTAINING COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS RELATED TO THE ETIOLOGY OF CANCER NEXUSPHARMA INC. (US) 2006-08-10 WO disclosed
US-20050228017-A1 Novel anticancer compounds MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE 2005-10-13 US disclosed
EP-1442018-A1 NOVEL ANTICANCER COMPOUNDS Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2004-08-04 EP disclosed
WO-2003037865-A1 NOVEL ANTICANCER COMPOUNDS Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2003-05-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050228017-A1 Novel anticancer compounds TP53, ABCG2, MCL1 RAF1 660/4885MAP2K1 4672/4885KDM4E 2416/4885
US-20210309660-A1 (4-HYDROXYPYRROLIDIN-2-YL)-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF VHL, MDM2, CUL2 RAF1 2275/4885MAP2K1 1949/4885KDM4E 731/4885
US-11242344-B2 (4-hydroxypyrrolidin-2-yl)-heterocyclic compounds and methods of use thereof VHL, MDM2, CUL2 RAF1 2275/4885MAP2K1 1949/4885KDM4E 731/4885
US-20240390373-A1 RAF KINASE INHIBITORS FOR TREATING TUMORS HARBORING GENE FUSIONS BRAF, ARAF, KRAS RAF1 5/4885MAP2K1 986/4885KDM4E 398/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.